Basic information
- CAS
1448338-26-8- Standard SMILES
NC1CCC(Nc2nc(NCc3cc(Cl)ccc3O)c3ncn(C4CCCC4)c3n2)CC1- InChIKey
NTFUBXCARKXYCA-UHFFFAOYSA-N- Molecular formula
- C23H30ClN7O
- Average molar mass
- 456 g/mol
- Monoisotopic mass
- 455.2200363
Names & identifiers
- Preferred name
- 2-[[[2-[(4-Aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]methyl]-4-chlorophenol
- IUPAC
- 2-[[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]methyl]-4-chlorophenol
Names & synonyms
CHEMBL2402947BDBM50437235NSC787976NSC-7879761448338-26-8
Database identifiers
- CAS
1448338-26-8- PubChem CID
- 71817954
- ChEMBL
CHEMBL2402947
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 601
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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